AT-057/42238858
TL;DR: AT-057/42238858 (CAS 620100-02-9) is a chemical compound with molecular formula C21H21N3O3S and molecular weight 395.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylpropanamide
Also Known As: AT-057/42238858, 3-{(5Z)-5-[4-(dimethylamino)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}-N-phenylpropanamide, F1463-0389, 3-[(5Z)-5-{[4-(DIMETHYLAMINO)PHENYL]METHYLIDENE}-2,4-DIOXO-1,3-THIAZOLIDIN-3-YL]-N-PHENYLPROPANAMIDE, (Z)-3-(5-(4-(dimethylamino)benzylidene)-2,4-dioxothiazolidin-3-yl)-N-phenylpropanamide
| Molecular Formula | C21H21N3O3S |
|---|---|
| Molecular Weight | 395.13 g/mol |
| LogP | 3.8177 |
| Topological Polar Surface Area | 69.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 395.13037 |
| Heavy Atoms | 28 |
| Complexity | 908.25287 |
Chemical Identifiers
| CAS Number | 620100-02-9 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CCC(=O)NC3=CC=CC=C3 |
Product Overview
AT-057/42238858 (CAS 620100-02-9), with molecular formula C21H21N3O3S and molecular weight 395.13 g/mol. IUPAC: 3-[(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylpropanamide.
Chemical Property Profile of AT-057/42238858
Property Insights of AT-057/42238858
The XLogP value of 3.8177 indicates that AT-057/42238858 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.72 Ų falls within the moderate polarity range, balancing permeability and solubility for AT-057/42238858. Following Lipinski's Rule of Five, AT-057/42238858 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AT-057/42238858?
The CAS number of AT-057/42238858 is 620100-02-9.
What is the molecular formula of AT-057/42238858?
The molecular formula of AT-057/42238858 is C21H21N3O3S.
What is the molecular weight of AT-057/42238858?
The molecular weight of AT-057/42238858 is 395.13 g/mol.
Where can I buy AT-057/42238858?
You can request a quote for AT-057/42238858 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AT-057/42238858?
Yes, KEHONG BIO provides custom synthesis services for AT-057/42238858 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.